Study : Rv0155 (atomeDB@cbs.cnrs.fr)


Main Binding Site Prediction:


Binding Site Prediction

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Binding Site Number :C3_S1
Best Complexes choosen after comparative docking [pKd > 3] : 5 (5 maxi)

Complexes [Theoretical pKd]FileVolume (A3)
(FPocket)
Hydrophobicity
Score(FPocket)
Contacts Ligand/Receptor [<4A] in Site C3_S1
Complex: NDP_F_6(1U2G) / Model_35(1U2G/B) = [3.1] Download850.3532.11MTDPQTQSTRVGVVAESGPDERRVALVPKAVASLVNRGVAVVVEAGAGERALLPDELYTAVGASIGDAWAADVVVKVAPPTAAEVGRLRGGQTLIGFLAPRNADNSIGALTQAGVQAFALEAIPRISRAQVMDALSSQANVSGYKAVLLAASESTRFFPMLTTAAGTVKPATVLVLGVGVAGLQALATAKRLGARTTGYDVRPEVADQVRSVGAQWLDLGISASGEGGYARELTDDERAQQQKALEEAISGFDVVITTALVPGRPAPTLVTAAAVEAMKPGSVVVDLAGETGGNCELTEPGRTVVKHDVTIAAPLNLPATMPEHASELYSKNITALLDLLIKDGRLAPDFDDEVIAQSCVTRGKDS
Complex: NAP_C_5(2FSV) / Model_42(2FSV/B) = [3.1] Download725.3636.75MTDPQTQSTRVGVVAESGPDERRVALVPKAVASLVNRGVAVVVEAGAGERALLPDELYTAVGASIGDAWAADVVVKVAPPTAAEVGRLRGGQTLIGFLAPRNADNSIGALTQAGVQAFALEAIPRISRAQVMDALSSQANVSGYKAVLLAASESTRFFPMLTTAAGTVKPATVLVLGVGVAGLQALATAKRLGARTTGYDVRPEVADQVRSVGAQWLDLGISASGEGGYARELTDDERAQQQKALEEAISGFDVVITTALVPGRPAPTLVTAAAVEAMKPGSVVVDLAGETGGNCELTEPGRTVVKHDVTIAAPLNLPATMPEHASELYSKNITALLDLLIKDGRLAPDFDDEVIAQSCVTRGKDS
Complex: NAP_C_6(2FRD) / Model_41(2FRD/B) = [3.1] Download608.5839.62MTDPQTQSTRVGVVAESGPDERRVALVPKAVASLVNRGVAVVVEAGAGERALLPDELYTAVGASIGDAWAADVVVKVAPPTAAEVGRLRGGQTLIGFLAPRNADNSIGALTQAGVQAFALEAIPRISRAQVMDALSSQANVSGYKAVLLAASESTRFFPMLTTAAGTVKPATVLVLGVGVAGLQALATAKRLGARTTGYDVRPEVADQVRSVGAQWLDLGISASGEGGYARELTDDERAQQQKALEEAISGFDVVITTALVPGRPAPTLVTAAAVEAMKPGSVVVDLAGETGGNCELTEPGRTVVKHDVTIAAPLNLPATMPEHASELYSKNITALLDLLIKDGRLAPDFDDEVIAQSCVTRGKDS
Complex: GOL_A_8(4IZH) / Model_85(4IZH/A) = [3.2] Download672.4043.79MTDPQTQSTRVGVVAESGPDERRVALVPKAVASLVNRGVAVVVEAGAGERALLPDELYTAVGASIGDAWAADVVVKVAPPTAAEVGRLRGGQTLIGFLAPRNADNSIGALTQAGVQAFALEAIPRISRAQVMDALSSQANVSGYKAVLLAASESTRFFPMLTTAAGTVKPATVLVLGVGVAGLQALATAKRLGARTTGYDVRPEVADQVRSVGAQWLDLGISASGEGGYARELTDDERAQQQKALEEAISGFDVVITTALVPGRPAPTLVTAAAVEAMKPGSVVVDLAGETGGNCELTEPGRTVVKHDVTIAAPLNLPATMPEHASELYSKNITALLDLLIKDGRLAPDFDDEVIAQSCVTRGKDS
Complex: GOL_B_6(1PTJ) / Model_40(1PTJ/B) = [3.2] Download674.4130.13MTDPQTQSTRVGVVAESGPDERRVALVPKAVASLVNRGVAVVVEAGAGERALLPDELYTAVGASIGDAWAADVVVKVAPPTAAEVGRLRGGQTLIGFLAPRNADNSIGALTQAGVQAFALEAIPRISRAQVMDALSSQANVSGYKAVLLAASESTRFFPMLTTAAGTVKPATVLVLGVGVAGLQALATAKRLGARTTGYDVRPEVADQVRSVGAQWLDLGISASGEGGYARELTDDERAQQQKALEEAISGFDVVITTALVPGRPAPTLVTAAAVEAMKPGSVVVDLAGETGGNCELTEPGRTVVKHDVTIAAPLNLPATMPEHASELYSKNITALLDLLIKDGRLAPDFDDEVIAQSCVTRGKDS
Consensus
[pKd Mean = 3.14]
-706
(s=81)
36
(s=4)
MTDPQTQSTRVGVVAESGPDERRVALVPKAVASLVNRGVAVVVEAGAGERALLPDELYTAVGASIGDAWAADVVVKVAPPTAAEVGRLRGGQTLIGFLAPRNADNSIGALTQAGVQAFALEAIPRISRAQVMDALSSQANVSGYKAVLLAASESTRFFPMLTTAAGTVKPATVLVLGVGVAGLQALATAKRLGARTTGYDVRPEVADQVRSVGAQWLDLGISASGEGGYARELTDDERAQQQKALEEAISGFDVVITTALVPGRPAPTLVTAAAVEAMKPGSVVVDLAGETGGNCELTEPGRTVVKHDVTIAAPLNLPATMPEHASELYSKNITALLDLLIKDGRLAPDFDDEVIAQSCVTRGKDS